SCHEMBL27426795

SCHEMBL27426795

CCCOc1ccc(CC)c2c1O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
CA9 Q16790 2/20 0.39
HSD17B10 Q99714 2/20 0.38
CYP2A6 P11509 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CSNK2A1 P68400 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11404312 0.82 KDM4E (0.45) MAPTALDH1A1KDM4EHPGDPOLB
SCHEMBL11438618 0.79 STK17B (0.41) MAPTALDH1A1KDM4EHPGDPOLB
SCHEMBL9245266 0.77 MAPT (0.38) MAPTALDH1A1KDM4EHPGDPOLB
SCHEMBL9114881 0.75 CNR1 (0.43) MAPTALDH1A1KDM4EKMT2ATP53
SCHEMBL7136989 0.73 PDE3B (0.36) MAPTALDH1A1KDM4EHPGDPOLB
SCHEMBL7209876 0.73 KDM4E (0.35) MAPTALDH1A1KDM4EHPGDPOLB
SCHEMBL9123430 0.72 TSHR (0.46) MAPTALDH1A1CA9HSD17B10L3MBTL1
SCHEMBL10158281 0.70 MAPT (0.50) MAPTALDH1A1KDM4EHPGDPOLB
SCHEMBL11386584 0.70 ESR1 (0.47) CA9
SCHEMBL8165665 0.70 PDK2 (0.39) MAPTALDH1A1KDM4EHPGDMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1128786-C Process for the manufacture of metoprolol ASTRA AB (SE) 2003-11-26 CN disclosed
CN-1237958-A New manufacturing process of metoprolol ASTRA AB (SE) 1999-12-08 CN disclosed